SCHEMBL7235183

SCHEMBL7235183

COc1ccc(CN2CCN(c3ncccc3C(=O)NC(O)CCc3ccccc3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
HSD17B10 Q99714 2/20 0.47
TSHR P16473 1/20 0.47
SIGMAR1 Q99720 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
CAPN1 P07384 2/20 0.46
CTSS P25774 1/20 0.46
FAAH O00519 2/20 0.44
ACHE P22303 1/20 0.44
ABCB1 P08183 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7242743 0.92 TSHR (0.54) HSD17B10TSHRMAPTCAPN1CTSS
SCHEMBL7234748 0.91 MEN1 (0.48) HSD17B10TSHRKMT2ACAPN1CTSS
SCHEMBL7242371 0.88 GPR6 (0.48) HSD17B10TSHRMAPTKMT2ACAPN1
SCHEMBL7235181 0.84 CAPN1 (0.50) L3MBTL1HSD17B10SIGMAR1MAPTKMT2A
SCHEMBL7238934 0.84 L3MBTL1 (0.50) L3MBTL1HSD17B10TSHRSIGMAR1MAPT
SCHEMBL7238926 0.84 CAPN1 (0.49) L3MBTL1HSD17B10SIGMAR1MAPTKMT2A
SCHEMBL7241206 0.83 CHIA (0.59) HSD17B10TSHRMAPTKMT2ACAPN1
SCHEMBL7234715 0.83 TSHR (0.49) HSD17B10TSHRSIGMAR1KMT2ACAPN1
SCHEMBL7232790 0.83 TSHR (0.46) HSD17B10TSHRMAPTCAPN1CTSS
SCHEMBL7239763 0.82 HSD17B10 (0.56) HSD17B10TSHRMAPTKMT2ACAPN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6562827-B1 For the treatment of diseases in which increased calpain activity occurs such as neurodegenerative diseases or neuronal damage are caused by ischemia, trauma or mass hemorrhages ABBOTT LABORATORIES 2003-05-13 US disclosed